⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1363064 | 0.91 | — | — | |
| SCHEMBL16152 | 0.91 | — | — | |
| Iodide SCHEMBL6269430 | 0.86 | — | — | |
| SCHEMBL17046204 | 0.86 | — | — | |
| SCHEMBL15208800 | 0.86 | — | — | |
| SCHEMBL19279014 | 0.86 | — | — | |
| SCHEMBL1191700 | 0.86 | MGLL (0.31) | — | |
| Hydrochloric Acid SCHEMBL1727088 | 0.86 | — | — | |
| SCHEMBL19279016 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11465106 | 0.86 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | claimed |
| CN-109879859-A | COT regulator and its application method | 吉利德科学公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107922390-B | COT modulators and methods of use thereof | 吉利德科学公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-108026067-A | 6- amino-quinolin -3- nitriles as COT conditioning agents | 吉利德科学公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107922390-A | COT modulators and methods of use thereof | 吉利德科学公司 | 2018-04-17 | — | — | CN | disclosed |
| WO-1998043962-A1 | HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-10-08 | — | — | WO | disclosed |
| US-4780399-A | SENSITIZING-DYE HAVING OXAZOLE, THIAZOLE, IMIDAZOLE RINGS OR BENZO-AND NAPHTHO-COMPLETING DERIVATIVES | FUJI PHOTO FILM CO., LTD. (JP) | 1988-10-25 | — | — | US | disclosed |